Chemical ID: 4123746

CC(C(=O)O)N1CCNC(=O)C1(C)C
Chemical ID:
4123746
Name [?]:
2-(2,2-dimethyl-3-oxo-piperazin-1-yl)propanoic acid
SMILES [?]:
CC(C(=O)O)N1CCNC(=O)C1(C)C
InChi [?]:
InChI=1/C9H16N2O3/c1-6(7(12)13)11-5-4-10-8(14)9(11,2)3/h6H,4-5H2,1-3H3,(H,10,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,14,8,7,2,3,10,12,9,6,4,5,11/E:(2,3)(12,13)/rA:14cCCCOONCCNCOCCC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s6s10;s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:5.5793
Area:348.859
Solvation:-3.14218
Coulombic:-52.8201
Bond Count [?]
All:14
Single:12
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.235
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.43
LogP (Chemaxon):-2.95

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